UCSF

ZINC12169463

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 7.49 -42.94 2 9 1 91 444.508 8
Hi High (pH 8-9.5) 2.12 5 -16.43 1 9 0 90 443.5 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )